1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone

C15H18O3 — CID 67853355

IUPAC1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone
SMILESCOC1=C(C(C)=O)C2CC3C=CC=CC13C2OC
InChIInChI=1S/C15H18O3/c1-9(16)12-11-8-10-6-4-5-7-15(10,13(11)17-2)14(12)18-3/h4-7,10-11,13H,8H2,1-3H3
InChIKeyVNWOWFSVDZWMEK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds3

About 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone

1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone (PubChem CID 67853355) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone.

Molecular Properties

Compound Name1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone
PubChem CID67853355
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone
SMILESCOC1=C(C(C)=O)C2CC3C=CC=CC13C2OC
InChIInChI=1S/C15H18O3/c1-9(16)12-11-8-10-6-4-5-7-15(10,13(11)17-2)14(12)18-3/h4-7,10-11,13H,8H2,1-3H3
InChIKeyVNWOWFSVDZWMEK-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone?
The IUPAC name of 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone (CID 67853355) is 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone.
What is the SMILES notation for 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone?
The canonical SMILES for 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone is COC1=C(C(C)=O)C2CC3C=CC=CC13C2OC.
What is the InChIKey of 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone?
The InChIKey is VNWOWFSVDZWMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-9(16)12-11-8-10-6-4-5-7-15(10,13(11)17-2)14(12)18-3/h4-7,10-11,13H,8H2,1-3H3.
What are the key properties of 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone?
1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,11-dimethoxy-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone is sourced from PubChem (CID 67853355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).